Project name: ID1

Status: done

Started: 2026-06-11 05:22:03
Settings
Chain sequence(s) A: MYERIRLRVTHQTTGEEYFRFITLLRDYVSSGSFSNEIPLLRQSTIPVSDAQRFVLVELTNQGGDSITAAIDVTNLYVVAYQAGDQSYFLRDAPRGAETHLFTGTTRSSLPFNGSYPDLERYAGHRDQIPLGIDQLIQSVTALRFPGGSTRTQARSILILIQMISEAARFNPILWRARQYINSGASFLPDVYMLELETSWGQQSTQVQHSTDGVFNNPIRLAIPPGNFVTLTNVRDVIASLAIMLFVCGERPSAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:09)
Show buried residues

Minimal score value
-2.9674
Maximal score value
1.3245
Average score
-0.6289
Total score value
-327.0042

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 M A 0.5096
2 Y A -0.5102
3 E A -1.7038
4 R A -2.0160
5 I A 0.0000
6 R A -2.6258
7 L A 0.0000
8 R A -2.9674
9 V A 0.0000
10 T A 0.0000
11 H A -2.4375
12 Q A -2.3784
13 T A 0.0000
14 T A -1.7835
15 G A 0.0000
16 E A -2.4946
17 E A -2.6278
18 Y A 0.0000
19 F A -1.2890
20 R A -2.1321
21 F A 0.0000
22 I A 0.0000
23 T A -0.7205
24 L A -0.2334
25 L A 0.0000
26 R A -0.9087
27 D A -1.5293
28 Y A -0.7423
29 V A 0.0000
30 S A -0.6873
31 S A -0.3876
32 G A -0.4231
33 S A 0.5047
34 F A 1.3150
35 S A 0.1929
36 N A -1.0442
37 E A -0.7432
38 I A 0.0000
39 P A 0.1102
40 L A 0.0000
41 L A 0.0000
42 R A -0.3667
43 Q A 0.2892
44 S A 0.2392
45 T A 0.7247
46 I A 1.3245
47 P A 0.1834
48 V A -0.2739
49 S A -0.7298
50 D A -1.6461
51 A A -0.8324
52 Q A -1.5072
53 R A -1.1987
54 F A 0.0000
55 V A 0.0000
56 L A 0.0000
57 V A 0.0000
58 E A -1.4980
59 L A 0.0000
60 T A -1.6761
61 N A 0.0000
62 Q A -2.2929
63 G A -1.3615
64 G A -1.4452
65 D A -0.8354
66 S A -0.9708
67 I A 0.0000
68 T A 0.0000
69 A A 0.0000
70 A A 0.0000
71 I A 0.0000
72 D A 0.0000
73 V A 0.0000
74 T A 0.0000
75 N A -0.3017
76 L A 0.0000
77 Y A 0.0980
78 V A 0.0000
79 V A 0.0000
80 A A 0.0000
81 Y A 0.0000
82 Q A -1.0814
83 A A 0.0000
84 G A -1.2295
85 D A -2.5132
86 Q A -1.9414
87 S A 0.0000
88 Y A -1.0496
89 F A 0.0000
90 L A 0.0000
91 R A -2.5941
92 D A -2.4438
93 A A 0.0000
94 P A -1.8774
95 R A -2.5544
96 G A -1.9084
97 A A 0.0000
98 E A -2.4597
99 T A -1.4960
100 H A -1.3861
101 L A 0.0000
102 F A 0.0000
103 T A -1.1645
104 G A -1.1491
105 T A -1.6975
106 T A -1.7787
107 R A -2.6445
108 S A -1.5254
109 S A -1.4577
110 L A 0.0000
111 P A -0.6628
112 F A 0.0000
113 N A -1.4830
114 G A 0.0000
115 S A -0.3731
116 Y A -0.5968
117 P A -0.9407
118 D A -0.9262
119 L A 0.0000
120 E A -1.9386
121 R A -2.2549
122 Y A -1.5737
123 A A 0.0000
124 G A -1.9867
125 H A -2.1443
126 R A -1.4795
127 D A -1.1740
128 Q A -1.6882
129 I A 0.0000
130 P A -0.3626
131 L A 0.0000
132 G A 0.0000
133 I A 0.0000
134 D A -1.8868
135 Q A -1.3577
136 L A 0.0000
137 I A 0.0000
138 Q A -1.6528
139 S A 0.0000
140 V A 0.0000
141 T A -0.5953
142 A A -0.3392
143 L A 0.0000
144 R A -0.1776
145 F A 1.1084
146 P A 0.1500
147 G A -0.2168
148 G A -0.5260
149 S A -1.0276
150 T A -1.1739
151 R A -2.3581
152 T A -1.5089
153 Q A -0.9943
154 A A 0.0000
155 R A -1.7418
156 S A 0.0000
157 I A 0.0000
158 L A 0.0000
159 I A 0.0000
160 L A 0.0000
161 I A 0.0000
162 Q A 0.0000
163 M A 0.0000
164 I A 0.0000
165 S A 0.0000
166 E A 0.0000
167 A A 0.0000
168 A A 0.0000
169 R A 0.0000
170 F A 0.0000
171 N A -0.2062
172 P A 0.0000
173 I A 0.0000
174 L A 0.0000
175 W A -0.1870
176 R A -0.6163
177 A A 0.0000
178 R A -1.1780
179 Q A -1.2797
180 Y A -0.5690
181 I A 0.0000
182 N A -2.1209
183 S A -1.0687
184 G A -1.4463
185 A A -0.6349
186 S A -0.2629
187 F A 0.0000
188 L A 0.3496
189 P A 0.0000
190 D A -0.2536
191 V A 0.5981
192 Y A 0.0000
193 M A 0.0000
194 L A 0.1144
195 E A -0.3501
196 L A 0.0000
197 E A 0.0000
198 T A -0.2685
199 S A 0.0000
200 W A 0.0000
201 G A -0.3768
202 Q A -0.9363
203 Q A 0.0000
204 S A 0.0000
205 T A -0.4680
206 Q A 0.0000
207 V A 0.0000
208 Q A -0.1101
209 H A -1.0716
210 S A -0.8724
211 T A -0.8006
212 D A -1.6031
213 G A -0.7709
214 V A 0.4153
215 F A 0.0000
216 N A -1.6439
217 N A -2.0744
218 P A -1.2310
219 I A 0.0000
220 R A -1.7569
221 L A 0.0000
222 A A -0.1553
223 I A 0.0000
224 P A -0.7143
225 P A -0.8360
226 G A -0.7258
227 N A -0.7272
228 F A 0.1765
229 V A 0.0000
230 T A -0.5571
231 L A 0.0000
232 T A -0.5499
233 N A -0.3126
234 V A 0.0000
235 R A -0.4107
236 D A -0.2897
237 V A 0.0000
238 I A 0.0000
239 A A -0.1791
240 S A -0.1681
241 L A 0.0000
242 A A -0.2471
243 I A 0.0000
244 M A 0.0000
245 L A 0.5287
246 F A 1.2132
247 V A 0.6072
248 C A 0.0621
249 G A -1.4451
250 E A -2.8575
251 R A -2.9275
252 P A -1.7985
253 S A -1.1331
254 A A -0.3886
255 A A -0.1682
256 A A -0.2671
257 G A -0.7505
258 G A -1.0006
259 G A -1.0739
260 G A -0.9969
261 S A -0.8828
262 G A -1.0587
263 G A -1.1019
264 G A -1.1364
265 G A -1.1312
266 S A -1.0047
267 G A -1.1703
268 G A -1.1997
269 G A -1.0119
270 G A -0.7298
271 S A -0.3453
272 M A 0.2914
273 A A -0.2287
274 Q A -1.1643
275 V A 0.0000
276 Q A -0.8348
277 L A 0.0000
278 V A 0.5503
279 E A 0.0000
280 S A -0.4512
281 G A -0.9702
282 G A -0.4095
283 G A 0.2850
284 V A 1.3224
285 V A 0.0000
286 Q A -1.9415
287 P A -2.1996
288 G A -2.2985
289 R A -2.9142
290 S A -2.1567
291 L A -1.2683
292 R A -1.7207
293 L A 0.0000
294 S A -0.3949
295 C A 0.0000
296 S A -0.2889
297 S A 0.0000
298 S A -0.6014
299 G A -0.4054
300 F A 0.0000
301 I A 0.0337
302 F A 0.0000
303 S A -0.8525
304 D A -0.4402
305 N A 0.0000
306 Y A 0.0563
307 M A 0.0000
308 Y A 0.0000
309 W A 0.0000
310 V A 0.0000
311 R A 0.0000
312 Q A -0.8145
313 A A -1.2391
314 P A -1.1593
315 G A -1.4485
316 K A -2.3901
317 G A -1.6372
318 L A 0.0000
319 E A -1.0807
320 W A 0.0000
321 V A 0.0000
322 A A 0.0000
323 T A 0.0000
324 I A 0.0000
325 S A 0.0000
326 D A -0.5276
327 G A -0.8529
328 G A -0.4437
329 S A -0.0412
330 Y A 0.9055
331 T A 0.6869
332 Y A 0.3661
333 Y A -0.6735
334 P A -1.5883
335 D A -2.8274
336 S A -1.9551
337 V A 0.0000
338 K A -2.5551
339 G A -1.7901
340 R A -1.5575
341 F A 0.0000
342 T A -0.7376
343 I A 0.0000
344 S A -0.2246
345 R A -0.9514
346 D A -1.4420
347 N A -1.6743
348 S A -1.5813
349 K A -2.3210
350 N A -1.4962
351 T A -0.9321
352 L A 0.0000
353 F A -0.3369
354 L A 0.0000
355 Q A -1.0207
356 M A 0.0000
357 D A -2.0758
358 S A -1.9317
359 L A 0.0000
360 R A -2.6344
361 P A -2.0322
362 E A -2.6247
363 D A 0.0000
364 T A -0.7229
365 G A 0.0000
366 V A 0.1007
367 Y A 0.0000
368 F A 0.0000
369 C A 0.0000
370 A A 0.0000
371 R A 0.0000
372 G A 0.0000
373 Y A 0.0000
374 Y A 0.0463
375 R A -0.3117
376 Y A 0.0000
377 E A -0.4132
378 G A 0.0000
379 A A 0.0000
380 M A 0.0000
381 D A 0.0000
382 Y A -0.1750
383 W A -0.4326
384 G A 0.0000
385 Q A -1.3943
386 G A 0.0000
387 T A 0.0000
388 P A 0.0279
389 V A 0.0000
390 T A -0.0291
391 V A 0.0000
392 S A -1.0367
393 S A -1.1917
394 G A -1.2033
395 G A -1.1100
396 G A -1.1746
397 G A -1.1728
398 S A -0.9289
399 G A -1.3558
400 G A -1.3852
401 G A -1.4348
402 G A -1.3940
403 S A -1.2374
404 G A -1.1925
405 G A -1.6776
406 G A -1.5047
407 G A -1.8262
408 S A -1.2067
409 D A -2.0121
410 I A -1.3751
411 Q A -1.9425
412 L A 0.0000
413 T A -1.2434
414 Q A 0.0000
415 S A -0.6172
416 P A -0.5255
417 S A -0.7427
418 S A -0.7878
419 L A -0.6580
420 S A -0.9712
421 A A 0.0000
422 S A -0.7637
423 V A 0.0534
424 G A -0.8455
425 D A -1.7520
426 R A -2.3610
427 V A 0.0000
428 T A -0.6318
429 I A 0.0000
430 T A -0.7206
431 C A 0.0000
432 K A -2.2220
433 S A 0.0000
434 S A -1.7471
435 Q A -1.9198
436 S A -0.8115
437 V A 0.0000
438 L A 0.0497
439 Y A 0.3825
440 S A -0.4033
441 S A -0.6118
442 N A -1.0480
443 Q A -1.4590
444 K A -1.0750
445 N A -0.4030
446 Y A 0.0000
447 L A 0.0000
448 A A 0.0000
449 W A 0.0000
450 Y A 0.0000
451 Q A 0.0000
452 Q A 0.0000
453 K A -1.7558
454 P A -1.2202
455 G A -1.6921
456 K A -2.6801
457 A A -1.6920
458 P A 0.0000
459 K A -1.5534
460 L A 0.0000
461 L A 0.0000
462 I A 0.0000
463 Y A 0.0000
464 W A -0.4853
465 A A 0.0000
466 S A -0.6547
467 T A -0.5147
468 R A -0.9429
469 E A 0.0000
470 S A -0.9948
471 G A -0.9689
472 V A -0.6056
473 P A -0.5270
474 S A -0.5986
475 R A -0.7556
476 F A 0.0000
477 S A -0.5295
478 G A -0.4838
479 S A -0.6845
480 G A -1.0586
481 S A -0.9543
482 G A -0.9509
483 T A -1.5133
484 D A -2.0875
485 F A 0.0000
486 T A -0.7182
487 F A 0.0000
488 T A -0.5808
489 I A 0.0000
490 S A -1.3453
491 S A -1.2095
492 L A 0.0000
493 Q A -0.7898
494 P A -0.8538
495 E A -1.5944
496 D A 0.0000
497 I A -0.5000
498 A A 0.0000
499 T A -0.6830
500 Y A 0.0000
501 Y A 0.0000
502 C A 0.0000
503 H A 0.0000
504 Q A 0.0000
505 Y A 0.0000
506 L A 0.4289
507 S A -0.1331
508 S A -0.5490
509 W A -0.1546
510 T A -0.6225
511 F A 0.0000
512 G A 0.0000
513 Q A -1.6669
514 G A 0.0000
515 T A 0.0000
516 K A -1.1672
517 L A 0.0000
518 E A -1.2384
519 I A -0.8188
520 K A -1.5466
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Laboratory of Theory of Biopolymers 2018